Molecule

ID:39281

General Information
Structure
MolImage
Molecular Formula
C₂₆H₁₉NO₄
Molecular Mass
409.43336
Exact Mass
409.13140809
Charge
0
InChI
InChI=1S/C26H19NO4/c28-25(29)22-13-16-7-1-2-8-17(16)14-24(22)27-26(30)31-15-23-20-11-5-3-9-18(20)19-10-4-6-12-21(19)23/h1-14,23H,15H2,(H,27,30)(H,28,29)
InChIKey
MSOMSMIPRIHFGS-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cc2ccccc2cc1C(=O)O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
c1ccc2c(c1)cc(c(c2)C(=O)O)NC(=O)OCC1c2c(c3c1cccc3)cccc2
Calculated Properties
JChem
Acid pKa
3.1154907
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.3069415
LogD (pH = 7.4)
2.2040305
Log P
5.6631975
Molar Refractivity
119.2634
Polarizability
47.42391
Polar Surface Area
75.63
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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